2-ethyl-3,4-dipropyl-2H-furan-5-one

C12H20O2 — CID 11074336

IUPAC2-ethyl-3,4-dipropyl-2H-furan-5-one
SMILESCCCC1=C(CCC)C(CC)OC1=O
InChIInChI=1S/C12H20O2/c1-4-7-9-10(8-5-2)12(13)14-11(9)6-3/h11H,4-8H2,1-3H3
InChIKeyGKSAIXUTWKZCDX-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.22
Rot. Bonds5

About 2-ethyl-3,4-dipropyl-2H-furan-5-one

2-ethyl-3,4-dipropyl-2H-furan-5-one (PubChem CID 11074336) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-ethyl-3,4-dipropyl-2H-furan-5-one.

Molecular Properties

Compound Name2-ethyl-3,4-dipropyl-2H-furan-5-one
PubChem CID11074336
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-ethyl-3,4-dipropyl-2H-furan-5-one
SMILESCCCC1=C(CCC)C(CC)OC1=O
InChIInChI=1S/C12H20O2/c1-4-7-9-10(8-5-2)12(13)14-11(9)6-3/h11H,4-8H2,1-3H3
InChIKeyGKSAIXUTWKZCDX-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Butyl-4-methyl-furan-2(5h)-one
CID 14616858
16-Oxosarcoglaucol Acetate
CID 11384096
3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester
CID 86111
3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
Manshurolide
CID 14527198
3-Methyl-4-propyl-2,5-furandione
CID 580987
(5E,9E,11aS)-3,6,10-Trimethyl-7,8,11,11a-tetrahydrocyclodeca[b]furan-2(4H)-one
CID 44593362
Dihydrobovolide, (+-)-
CID 13192443
5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 126219
Ethyl 2-methylcyclopent-1-ene-1-carboxylate
CID 13416667
(+)-sarcophytoxin B
CID 14705435
Pestalolide
CID 57342266

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-dipropyl-2H-furan-5-one?
The IUPAC name of 2-ethyl-3,4-dipropyl-2H-furan-5-one (CID 11074336) is 2-ethyl-3,4-dipropyl-2H-furan-5-one.
What is the SMILES notation for 2-ethyl-3,4-dipropyl-2H-furan-5-one?
The canonical SMILES for 2-ethyl-3,4-dipropyl-2H-furan-5-one is CCCC1=C(CCC)C(CC)OC1=O.
What is the InChIKey of 2-ethyl-3,4-dipropyl-2H-furan-5-one?
The InChIKey is GKSAIXUTWKZCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-7-9-10(8-5-2)12(13)14-11(9)6-3/h11H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-3,4-dipropyl-2H-furan-5-one?
2-ethyl-3,4-dipropyl-2H-furan-5-one has a molecular weight of 196.29 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-dipropyl-2H-furan-5-one is sourced from PubChem (CID 11074336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).